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1-페닐-2,8,9-트리옥사-5-아자-1-실라바이사이클로[3.3.3]언데칸

Phenylsilatrane

HCID 16416
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
2097-19-0
표준 SMILES
c1ccc([Si]23OCCN(CCO2)CCO3)cc1
InChIKey
IJOIPPSHQCEBDH-UHFFFAOYSA-N
분자식
C12H17NO3Si
평균 분자량
251.35 g/mol
단동위원소 질량
251.09776994

개요

Phenylsilatrane is a solid. (EPA, 1998)

이름 및 식별자

우선 이름
Phenylsilatrane
IUPAC
1-phenyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
현지명
1-페닐-2,8,9-트리옥사-5-아자-1-실라바이사이클로[3.3.3]언데칸
영어명
Phenylsilatrane
분자식
C12H17NO3Si
분자량
251.35

이름 및 동의어

PHENYLSILATRANE1-PhenylsilatraneSilatrane, phenyl-1-FenylosilatranuFenylsilatranFenylsilatran [Czech]HSDB 63341-Phenyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane1-Fenylosilatranu [Polish]EINECS 218-263-7694OD9N65RPHENYLSILATRANE [HSDB]
이름 더 보기
1-페닐-2,8,9-트리옥사-5-아자-1-실라바이사이클로[3.3.3]언데칸페닐실라트라네phenyl-silatranfenylsilatran(czech)9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane,phenyl-8phenyl-2,8,9-trioxa-5-aza-1-silabicyclo(3,3,3)undecane9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane,1-phenyl-8
UNII-694OD9N65RPhenyl-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecaneDTXSID10621761-Phenyl-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, phenyl-2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-phenyl-2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-phenyl-Fenylsilatran (Czech)

데이터베이스 식별자

CAS

물성

구조 계산 물성

극성 표면적
30.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
1
무거운 원자 수
17
형식 전하
0
복잡도
232

실험 및 물리화학적 성질

Chemical ClassesMetals -> Metalloid Compounds (Silicon)
SpringerMaterials PropertiesChemical shift
Boiling Point350 °C @760 [mm Hg]
Decomposition · 2건

Disaster Hazard: When heated to decomposition phenysilatrane emits toxic fumes of /nitrogen oxides/.

The silanes decomp at elevated temp to liberate hydrogen and deposit a high purity silicon, which leads to some of the principal uses of silanes. /Silanes/

Melting Point207-208 °C
Vapor Pressure0.00001 [mm Hg] @25 °C
Physical Description · 2건

Phenylsilatrane is a solid. (EPA, 1998)

Solid; [CAMEO]

물리화학적 성질

녹는점
208.5 °C · 208.5°C
끓는 점
284.1 · 284.1±39.0 °C(Predicted)
밀도
1.18 · 1.18±0.1 g/cm3(Predicted)
산도 계수 (pKa)
6.5 · 6.50±0.20(Predicted)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

유해성 정보

DOT LabelPoison
Fire HazardsDecomposes to toxic fumes of nitrogen oxides when heated. Avoid decomposing heat. (EPA, 1998)
Health HazardsHighly toxic following ingestion by mouth. (EPA, 1998)
Hazards Summary · 1건

Highly toxic by ingestion; Organometallics are often reactive with water generating inflammable and/or toxic gases; No specific information about the toxicity of phenylsilatrane is available. For emergency situations, wear a positive pressure, pressure-demand, full facepiece self-contained breathing apparatus (SCBA) or pressure- demand supplied air respirator with escape SCBA and a fully-encapsulating, chemical resistant suit. [CAMEO] Oral LD50 (rat) = 1400 mg/kg; Effects included somnolence, tremor, and convulsions; [RTECS]

Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1건

Siloxanes, such as PHENYLSILATRANE, are not particularly reactive materials. They will undergo oxidation and reduction reactions under severe conditions or by very strong oxidizers or reducers. Otherwise they are relatively inert substances.

Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.

안전 및 보호

Fire FightingExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
First AidNote: No information on specific clinical effects of exposure to phenylsilatrane was found in available references at the time of this review. Caution is advised.

화학 및 산업

약리 정보

Mechanism of Action · 1건

4- Ethynyl- and 4-(prop-1-ynyl)phenylsilatranes are moderately potent inhibitors of the (35)S-tert-butylbicyclophosphorothionate or TBPS binding site (GABA-gated chloride channel) of mouse brain membranes. Scatchard analysls indicates non-competitive interaction of 4-ethynylphenylsilatrane with the TBPS binding site. Phenylsilatrane analogs with 4-substituents of H, CH3, Cl, Br, and C CSi(CH3)3 are highly toxic to mice but have little or no activity in the insect and receptor assays. Radioligand binding studies with 4-(3)H-phenylsilatrane failed to reveal a specific binding site in mouse brain. Silatranes with R = H, CH3, CH2Cl,CH, CH2, OCH2CH3, and C6H4-4-CH2CH3 are of little or no activity in the insect and mouse toxicity and TBPS binding site assays as are the trithia and monocyclic analogs of phenylsilatrane. 4-Alkynylphenylsilatranes are new probes to examine the GABA receptor-ionophore complex of insects and mammals.

용도 및 제조

General Manufacturing Information2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-phenyl-: ACTIVE

응용 분야

일반 설명Solid.

상·하류 제품 정보

하류 제품

1,3,5-트리페닐벤젠

공급사5 곳

陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
苏州矽索新材料有限公司(生产型企业)0512-65402974 18550909935 · [email protected]
海蔚化学

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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
2097-19-0
PubChem CID
16416
DTXSID
DTXSID1062176
UNII
694OD9N65R
EC Number
218-263-7
Nikkaji
J298.692B
물리적 상태
고체
EPA
Phenylsilatrane (2097-19-0)
Nonfire Spill ResponseExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Disposal Methods · 1건

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Protective Action Criteria (PAC) · 3건

0.091 [mg/m3]

1.0 [mg/m3]

6.0 [mg/m3]

Personal Protective Equipment (PPE) · 1건

For emergency situations, wear a positive pressure, pressure-demand, full facepiece self-contained breathing apparatus (SCBA) or pressure- demand supplied air respirator with escape SCBA and a fully-encapsulating, chemical resistant suit. (EPA, 1998)

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Non-Human Toxicity Excerpts · 4건

The ip LD50 values for 70 silatranes tested in mice ranged from 0.15 mg/kg for silatranes (with R=4-MeC6H4) to > 3000 mg/kg for 9 of the 70 cmpd. The LD50 for silatrane (R=H) itself was 100 mg/kg. In general, cmpd with alkyl, alkenyl, and alkoxy substituents were the least toxic and those with aryl and thienyl substituents the most toxic (LD50 < 1.0 mg/kg). /Silatranes/

Experiments on rats were made to study the effect of I-(chloromethyl) silatrane and I-(ethoxy) silatrane and that of triethanolamine and chloromethyl triethoxysilane on biochemical parameters of granular-fibrose tissue. The preparations were applied to a wound defect in the form of liniments. Silatranes were found to stimulate proliferation of the cells and to increase their biosynthetic activity, to favor accumulation of collagen and non-collagenic proteins, and reduction of the inflammatory phenomena. The silicon containing fragment of the silatrane molecule chloromethyl triethoxysilane produced an analogous but less marked action. ... These data indicate that silicon entering the silatrane grouping is of great importance for the occurrence of its biological activity. /Silatranes/

Only 1-ethoxy-silatrane was hydrolyzed by the diatom (Cyclolella cryptica), giving sufficient quantities of Si(OH)4 to maintain growth without exogenous Si(OH)4. In this case the diatoms multiplied by a factor of 18 within 48 hr. With silica in the medium, 1-phenylsilatrane, 1-phenyl-3,7,10-trimethylsilatrane, 1-chloromethylsilatrane and 1-chloromethyl-3,7,10-trimethoxysilatrane exhibited only slightly inhibitory activity ... . Respiration was unaffected by all the silatranes tested, but not photosynthetic oxygen evolution was reduced ... almost completely by 1-phenylsilatrane. ... In the absence of silica as nutrient in the medium, the silatranes hardly affected dark respiration within 24 hr. Conversely, the same samples showed no photosynthetic oxygen evolution after 24 hr, and 24 hr later again a negative O2 balance was produced in the light. Different silatranes produced significant differences in the final oxygen balance.

4-Ethynyl- and 4-(prop-1-ynyl)phenylsilatranes are highly toxic to houseflies (pretreated with piperonyl butoxide) and milkweed bugs (topical LD50s 3-14 ug/g) and to mice (intraperitoneal LD50s 0.4-0.9 mg/kg).

Non-Human Toxicity ValuesLD50 Mouse ip 0.4-0.9 mg/kg

안전 데이터

tsca
TSCA listed
ridadr
2811
포장분류
I
위험 등급
6.1(a)
유해 물질 데이터
2097-19-0(Hazardous Substances Data)
함량 및 규제정보
물질구분: 유독물질; 혼합물(제품)함량정보: 1-페닐-2,8,9-트리옥사-5-아자-1-실라바이사이클로[3.3.3]언데칸 및 이를 1% 이상 함유한 혼합물
유해화학물질 필터링
2019-1-920(신규화학물질)
86-21-51086038 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]